SCHEMBL4600271

SCHEMBL4600271

C=CCNc1[c]ccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MTOR P42345 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4598425 0.79 HPGD (0.37) LMNAALDH1A1HTTHPGDKDM4E
SCHEMBL4599615 0.79 LMNA (0.36) LMNAALDH1A1HPGDCA12CA1
SCHEMBL4598926 0.76 GABRA1 (0.34)
SCHEMBL4599766 0.72 MAPT (0.41) LMNAALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL168718 0.72 ALDH1A1 (0.38) LMNAALDH1A1HTTHPGDKDM4E
SCHEMBL4295987 0.70 MAPT (0.48) LMNAALDH1A1HTTHPGDKDM4E
SCHEMBL4599182 0.70 HTT (0.43) LMNAHTTHPGDSMN1; SMN2KMT2A
SCHEMBL4598887 0.69 CA12 (0.35) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL28995903 0.69 ALDH1A1 (0.33) LMNAALDH1A1HTTHPGDKDM4E
SCHEMBL4600158 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed